Geometry & MOs

Info

ID:	417810
PubChem CID:	135102803
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	4.9
IP(EA), eV:	-8.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,4-diazepan-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1N(C)CC2(CCC2)CO)C

DOS

IR

Vibrations